ethyl 2-[(4-butylphenyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(4-butylphenyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[(4-butylphenyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate CAS Name: 2-[[(4-butylanilino)-sulfanylidenemethyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(4-butylphenyl)carbamothioylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylate Traditional Name: 2-[(4-butylphenyl)thiocarbamoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxylic acid ethyl ester Formula: C24H32N2O2S2 MolecularWeight: 444.65308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC2=C(C3=C(S2)CCCCCC3)C(=O)OCC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC2=C(C3=C(S2)CCCCCC3)C(=O)OCC

InChI

InChI=1S/C24H32N2O2S2/c1-3-5-10-17-13-15-18(16-14-17)25-24(29)26-22-21(23(27)28-4-2)19-11-8-6-7-9-12-20(19)30-22/h13-16H,3-12H2,1-2H3,(H2,25,26,29)